==== Secondary Structure Definition by the program DSSP, updated CMBI version by ElmK / April 1,2000 ==== DATE=13-NOV-2011 . REFERENCE W. KABSCH AND C.SANDER, BIOPOLYMERS 22 (1983) 2577-2637 . HEADER TRANSFERASE/DNA 08-DEC-03 1RRC . COMPND 2 MOLECULE: 5'-D(*GP*TP*C)-3'; . SOURCE 2 SYNTHETIC: YES; . AUTHOR J.H.EASTBERG,J.PELLETIER,B.L.STODDARD . 288 2 0 0 0 TOTAL NUMBER OF RESIDUES, NUMBER OF CHAINS, NUMBER OF SS-BRIDGES(TOTAL,INTRACHAIN,INTERCHAIN) . 15501.0 ACCESSIBLE SURFACE OF PROTEIN (ANGSTROM**2) . 202 70.1 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(J) , SAME NUMBER PER 100 RESIDUES . 41 14.2 TOTAL NUMBER OF HYDROGEN BONDS IN PARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS IN ANTIPARALLEL BRIDGES, SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-5), SAME NUMBER PER 100 RESIDUES . 1 0.3 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-4), SAME NUMBER PER 100 RESIDUES . 2 0.7 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-3), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-2), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I-1), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+0), SAME NUMBER PER 100 RESIDUES . 0 0.0 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+1), SAME NUMBER PER 100 RESIDUES . 17 5.9 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+2), SAME NUMBER PER 100 RESIDUES . 19 6.6 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+3), SAME NUMBER PER 100 RESIDUES . 103 35.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+4), SAME NUMBER PER 100 RESIDUES . 11 3.8 TOTAL NUMBER OF HYDROGEN BONDS OF TYPE O(I)-->H-N(I+5), SAME NUMBER PER 100 RESIDUES . 1 2 3 4 5 6 7 8 9 10 11 12 13 14 15 16 17 18 19 20 21 22 23 24 25 26 27 28 29 30 *** HISTOGRAMS OF *** . 0 0 0 0 0 0 0 1 1 1 1 3 0 1 1 0 0 0 1 0 0 0 0 0 0 0 0 0 0 0 RESIDUES PER ALPHA HELIX . 1 0 1 3 2 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 PARALLEL BRIDGES PER LADDER . 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 ANTIPARALLEL BRIDGES PER LADDER . 0 1 1 1 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 0 LADDERS PER SHEET . # RESIDUE AA STRUCTURE BP1 BP2 ACC N-H-->O O-->H-N N-H-->O O-->H-N TCO KAPPA ALPHA PHI PSI X-CA Y-CA Z-CA 1 1 A X 0 0 172 0, 0.0 2,-0.1 0, 0.0 104,-0.1 0.000 360.0 360.0 360.0 129.1 34.0 71.8 120.2 2 2 A K - 0 0 51 102,-0.3 104,-1.9 70,-0.1 2,-0.3 -0.443 360.0-139.5 -65.9 137.1 31.6 74.6 121.3 3 3 A K E -ab 80 106A 52 76,-1.5 78,-1.6 102,-0.2 2,-0.5 -0.694 14.2-151.2-106.4 155.6 29.1 75.3 118.5 4 4 A I E -ab 81 107A 0 102,-2.4 104,-2.3 -2,-0.3 2,-0.8 -0.983 18.6-154.8-120.0 114.1 27.5 78.5 117.0 5 5 A I E -ab 82 108A 9 76,-3.1 78,-3.0 -2,-0.5 2,-0.5 -0.819 4.8-163.8-100.0 110.2 24.1 77.8 115.6 6 6 A L E -ab 83 109A 0 102,-2.6 104,-1.6 -2,-0.8 2,-0.5 -0.763 13.8-143.4 -87.9 126.8 22.9 80.2 112.8 7 7 A T E - b 0 110A 0 76,-2.0 2,-0.7 -2,-0.5 104,-0.2 -0.821 12.2-154.6 -90.4 127.2 19.1 80.0 112.3 8 8 A I E + b 0 111A 0 102,-1.9 104,-2.7 -2,-0.5 2,-0.3 -0.913 41.8 107.6-106.8 113.0 18.4 80.4 108.6 9 9 A G - 0 0 0 77,-1.9 79,-0.2 -2,-0.7 104,-0.1 -0.963 63.5 -98.6-175.9 159.0 14.9 81.7 107.9 10 10 A C > - 0 0 1 102,-0.5 3,-1.9 -2,-0.3 5,-0.3 -0.409 62.3 -78.0 -80.4 161.0 12.7 84.6 106.8 11 11 A P T 3 S+ 0 0 15 0, 0.0 -1,-0.2 0, 0.0 112,-0.2 -0.353 124.0 27.9 -59.4 142.9 11.0 86.7 109.5 12 12 A G T 3 S+ 0 0 12 110,-0.1 110,-0.1 -3,-0.1 -2,-0.1 0.531 86.5 119.0 84.3 6.3 8.1 84.8 110.8 13 13 A S S < S- 0 0 6 -3,-1.9 -3,-0.1 101,-0.0 -5,-0.0 0.490 90.9 -94.6 -86.0 -4.5 9.6 81.4 110.0 14 14 A G S > S+ 0 0 24 -4,-0.1 4,-2.3 -5,-0.1 5,-0.2 0.410 81.6 133.1 108.8 -3.3 9.7 79.9 113.6 15 15 A K H > S+ 0 0 13 -5,-0.3 4,-2.2 1,-0.2 5,-0.1 0.894 75.3 35.6 -42.0 -65.5 13.3 80.9 114.4 16 16 A S H > S+ 0 0 61 2,-0.2 4,-2.6 1,-0.2 -1,-0.2 0.844 113.3 56.9 -64.2 -41.6 12.8 82.4 117.9 17 17 A T H > S+ 0 0 102 1,-0.2 4,-1.4 2,-0.2 -1,-0.2 0.906 112.4 44.1 -58.2 -42.2 10.0 80.0 119.0 18 18 A W H X S+ 0 0 37 -4,-2.3 4,-3.1 2,-0.2 -2,-0.2 0.899 110.3 54.0 -69.2 -43.0 12.5 77.2 118.3 19 19 A A H X S+ 0 0 2 -4,-2.2 4,-2.6 -5,-0.2 5,-0.2 0.921 107.5 51.6 -58.7 -43.4 15.4 79.0 120.0 20 20 A R H X S+ 0 0 196 -4,-2.6 4,-1.7 2,-0.2 -1,-0.2 0.880 113.3 44.1 -61.3 -40.2 13.4 79.4 123.1 21 21 A E H X S+ 0 0 88 -4,-1.4 4,-2.5 2,-0.2 5,-0.3 0.945 112.0 51.9 -71.2 -47.2 12.5 75.7 123.2 22 22 A F H X S+ 0 0 40 -4,-3.1 4,-2.6 1,-0.2 -2,-0.2 0.927 112.4 45.4 -55.6 -46.8 16.0 74.5 122.4 23 23 A I H < S+ 0 0 52 -4,-2.6 6,-0.2 -5,-0.2 -1,-0.2 0.882 111.0 54.3 -65.1 -36.0 17.5 76.6 125.2 24 24 A A H < S+ 0 0 81 -4,-1.7 -1,-0.2 -5,-0.2 -2,-0.2 0.885 117.6 36.0 -63.8 -38.4 14.7 75.5 127.6 25 25 A K H < S+ 0 0 152 -4,-2.5 -2,-0.2 1,-0.2 -1,-0.2 0.737 116.1 55.1 -87.1 -26.0 15.6 71.8 126.9 26 26 A N S >< S- 0 0 63 -4,-2.6 3,-0.9 -5,-0.3 -1,-0.2 -0.840 75.8-146.7-117.9 98.1 19.4 72.2 126.5 27 27 A P T 3 S+ 0 0 113 0, 0.0 3,-0.1 0, 0.0 -3,-0.1 -0.300 81.6 39.8 -60.1 136.7 21.3 73.7 129.4 28 28 A G T 3 S+ 0 0 10 1,-0.3 51,-2.5 -5,-0.1 52,-1.8 0.535 86.8 112.1 102.1 7.2 24.3 75.7 128.4 29 29 A F E < -c 80 0A 18 -3,-0.9 2,-0.3 -6,-0.2 -1,-0.3 -0.929 42.7-170.6-115.9 139.3 22.9 77.4 125.3 30 30 A Y E -c 81 0A 103 50,-1.2 52,-2.9 -2,-0.4 2,-0.3 -0.958 17.8-124.4-130.4 149.6 22.2 81.1 124.9 31 31 A N E -c 82 0A 57 -2,-0.3 2,-0.4 50,-0.2 52,-0.2 -0.682 17.4-172.0 -94.9 144.4 20.4 83.3 122.3 32 32 A I E +c 83 0A 1 50,-2.3 52,-1.4 -2,-0.3 2,-0.3 -0.997 14.4 172.0-134.1 125.4 21.9 86.3 120.5 33 33 A N > - 0 0 5 -2,-0.4 4,-1.4 50,-0.2 5,-0.1 -0.998 32.7-152.5-143.8 135.9 19.6 88.4 118.3 34 34 A R H > S+ 0 0 43 -2,-0.3 4,-2.1 2,-0.2 5,-0.2 0.788 97.9 59.6 -75.6 -31.0 20.0 91.7 116.4 35 35 A D H > S+ 0 0 86 1,-0.2 4,-2.1 2,-0.2 5,-0.2 0.931 108.5 48.0 -62.3 -42.2 16.3 92.6 116.6 36 36 A D H > S+ 0 0 91 1,-0.2 4,-1.7 2,-0.2 -2,-0.2 0.899 113.4 44.9 -62.5 -44.6 16.7 92.5 120.4 37 37 A Y H X S+ 0 0 34 -4,-1.4 4,-1.8 1,-0.2 -1,-0.2 0.777 111.2 56.7 -71.2 -26.0 19.9 94.6 120.3 38 38 A R H X S+ 0 0 47 -4,-2.1 4,-0.6 2,-0.2 -2,-0.2 0.904 111.1 40.4 -72.3 -43.8 18.2 97.0 117.9 39 39 A Q H <>S+ 0 0 68 -4,-2.1 5,-2.0 1,-0.2 4,-0.4 0.817 114.1 55.2 -76.0 -28.1 15.2 97.7 120.2 40 40 A S H ><5S+ 0 0 87 -4,-1.7 3,-0.9 2,-0.2 -2,-0.2 0.921 100.8 53.3 -74.6 -43.8 17.4 97.9 123.3 41 41 A I H 3<5S+ 0 0 57 -4,-1.8 -1,-0.2 1,-0.3 -2,-0.1 0.780 117.2 41.1 -64.0 -21.5 19.9 100.5 122.3 42 42 A X T 3<5S- 0 0 78 -4,-0.6 -1,-0.3 -5,-0.1 -2,-0.2 0.502 102.9-133.1 -99.5 -6.8 17.0 102.8 121.4 43 43 A A T < 5 + 0 0 85 -3,-0.9 -3,-0.2 -4,-0.4 -2,-0.1 0.850 45.1 177.8 56.3 32.3 15.0 101.8 124.5 44 44 A H < - 0 0 55 -5,-2.0 2,-0.3 -6,-0.2 -1,-0.2 -0.257 26.1-126.6 -66.8 153.1 12.1 101.4 122.0 45 45 A E > - 0 0 147 -3,-0.1 3,-2.8 1,-0.1 -1,-0.1 -0.675 38.0 -91.5 -97.6 156.0 8.7 100.2 123.1 46 46 A E T 3 S+ 0 0 90 1,-0.3 -2,-0.1 -2,-0.3 -1,-0.1 0.775 124.4 45.4 -33.4 -44.6 7.0 97.3 121.4 47 47 A R T 3 S+ 0 0 78 2,-0.1 2,-0.3 82,-0.0 -1,-0.3 0.220 83.9 111.7 -93.7 15.0 5.2 99.6 118.9 48 48 A D < - 0 0 64 -3,-2.8 2,-0.7 1,-0.0 -4,-0.1 -0.696 65.6-127.0 -89.9 142.1 8.0 102.0 117.8 49 49 A E - 0 0 96 -2,-0.3 2,-0.1 1,-0.0 -2,-0.1 -0.775 25.6-130.9 -89.9 116.3 9.3 101.9 114.2 50 50 A Y - 0 0 54 -2,-0.7 2,-0.8 1,-0.1 -11,-0.1 -0.412 12.2-136.3 -68.5 134.7 13.1 101.5 114.2 51 51 A K - 0 0 60 -2,-0.1 5,-0.1 2,-0.0 -1,-0.1 -0.835 22.9-127.7 -97.2 109.0 15.0 103.9 112.0 52 52 A Y + 0 0 169 -2,-0.8 2,-0.3 4,-0.1 3,-0.1 -0.231 36.8 164.8 -58.1 140.1 17.7 102.0 110.0 53 53 A T > - 0 0 51 1,-0.1 4,-2.1 2,-0.0 5,-0.2 -0.978 44.8-132.9-158.2 142.0 21.3 103.4 110.2 54 54 A K H > S+ 0 0 155 -2,-0.3 4,-2.8 2,-0.2 5,-0.2 0.934 111.6 52.8 -58.5 -46.5 24.8 102.2 109.4 55 55 A K H > S+ 0 0 135 1,-0.2 4,-2.2 2,-0.2 -1,-0.2 0.962 109.9 45.8 -53.3 -58.9 25.9 103.5 112.8 56 56 A K H > S+ 0 0 41 1,-0.2 4,-2.0 2,-0.2 -1,-0.2 0.823 113.7 51.6 -56.9 -32.8 23.2 101.6 114.7 57 57 A E H X S+ 0 0 17 -4,-2.1 4,-3.0 2,-0.2 5,-0.2 0.906 106.1 52.1 -71.1 -43.5 24.0 98.4 112.6 58 58 A G H X S+ 0 0 44 -4,-2.8 4,-2.7 1,-0.2 -2,-0.2 0.914 110.9 50.6 -57.7 -41.8 27.7 98.6 113.3 59 59 A I H X S+ 0 0 76 -4,-2.2 4,-2.7 -5,-0.2 -2,-0.2 0.914 111.9 44.4 -62.7 -47.3 26.9 98.8 117.0 60 60 A V H X S+ 0 0 0 -4,-2.0 4,-2.1 2,-0.2 -2,-0.2 0.889 113.7 51.0 -67.0 -37.0 24.5 95.8 117.0 61 61 A T H X S+ 0 0 45 -4,-3.0 4,-2.4 2,-0.2 -2,-0.2 0.930 110.7 49.5 -63.3 -45.1 27.0 93.8 114.9 62 62 A G H X S+ 0 0 27 -4,-2.7 4,-2.7 -5,-0.2 5,-0.3 0.936 108.6 53.0 -58.9 -45.6 29.7 94.7 117.4 63 63 A X H X S+ 0 0 66 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.868 109.2 48.8 -58.6 -38.6 27.4 93.6 120.2 64 64 A Q H X S+ 0 0 0 -4,-2.1 4,-1.7 2,-0.2 -1,-0.2 0.928 112.1 49.4 -66.1 -45.0 26.8 90.2 118.6 65 65 A F H >X S+ 0 0 82 -4,-2.4 4,-2.0 2,-0.2 3,-0.5 0.977 115.9 40.4 -55.6 -62.8 30.6 89.7 118.1 66 66 A D H 3X S+ 0 0 89 -4,-2.7 4,-2.2 1,-0.2 -1,-0.2 0.856 113.9 53.5 -58.1 -39.7 31.5 90.6 121.7 67 67 A T H 3X S+ 0 0 42 -4,-2.2 4,-1.3 -5,-0.3 -1,-0.2 0.808 108.3 51.7 -68.4 -28.7 28.6 88.7 123.2 68 68 A A H < S+ 0 0 40 -4,-1.3 3,-2.0 -5,-0.2 -2,-0.2 0.936 115.2 49.1 -79.3 -47.0 29.8 83.5 126.3 72 72 A L H 3< S+ 0 0 1 -4,-2.9 -2,-0.2 1,-0.3 -1,-0.2 0.803 107.2 58.5 -63.0 -25.6 31.7 80.9 124.3 73 73 A Y T 3< S+ 0 0 131 -4,-2.2 -1,-0.3 -5,-0.3 -2,-0.2 0.163 87.8 108.4 -88.0 20.1 34.8 81.7 126.5 74 74 A G S < S- 0 0 31 -3,-2.0 -3,-0.1 1,-0.2 -2,-0.0 -0.144 80.8 -65.8 -81.9-174.0 32.8 80.8 129.6 75 75 A G - 0 0 56 1,-0.1 3,-0.3 2,-0.0 -1,-0.2 0.420 60.7 -81.3 -56.5-158.8 33.3 77.7 131.6 76 76 A D S S+ 0 0 86 1,-0.2 -1,-0.1 -3,-0.1 -2,-0.0 0.552 122.5 75.3 -84.4 -11.8 32.8 74.0 130.5 77 77 A S S S+ 0 0 84 2,-0.0 2,-0.3 0, 0.0 -1,-0.2 0.831 76.5 90.6 -67.4 -34.0 29.1 74.5 131.3 78 78 A V + 0 0 12 -3,-0.3 -49,-0.2 1,-0.2 -50,-0.1 -0.496 46.9 171.8 -69.7 123.5 28.8 76.6 128.1 79 79 A K - 0 0 110 -51,-2.5 -76,-1.5 1,-0.4 2,-0.3 0.745 55.0 -63.1-102.7 -31.1 27.8 74.4 125.1 80 80 A G E -ac 3 29A 0 -52,-1.8 -50,-1.2 -78,-0.2 -1,-0.4 -0.991 42.4 -99.4 169.9-173.5 27.1 77.0 122.5 81 81 A V E -ac 4 30A 0 -78,-1.6 -76,-3.1 -2,-0.3 2,-0.5 -0.980 19.1-136.4-139.7 151.7 25.1 80.0 121.3 82 82 A I E -ac 5 31A 0 -52,-2.9 -50,-2.3 -2,-0.3 2,-1.0 -0.931 6.2-155.9-110.4 125.7 22.2 80.4 118.8 83 83 A I E -ac 6 32A 0 -78,-3.0 -76,-2.0 -2,-0.5 2,-0.9 -0.811 14.2-172.6-101.3 90.1 22.4 83.4 116.4 84 84 A S + 0 0 0 -52,-1.4 -68,-0.1 -2,-1.0 -51,-0.1 -0.096 39.1 119.0 -80.5 39.4 18.6 83.7 115.7 85 85 A D S S- 0 0 9 -2,-0.9 -78,-0.2 -53,-0.1 -76,-0.1 -0.280 83.7 -98.5 -88.6-178.6 18.8 86.3 113.0 86 86 A T - 0 0 42 -78,-0.1 -77,-1.9 -2,-0.1 -1,-0.1 0.910 44.2-167.1 -67.4 -38.1 17.5 85.7 109.4 87 87 A N + 0 0 2 -79,-0.2 6,-0.1 1,-0.1 -77,-0.1 0.783 39.2 136.5 54.6 30.8 21.1 84.9 108.4 88 88 A L + 0 0 1 -79,-0.2 -1,-0.1 4,-0.1 58,-0.1 0.474 39.1 90.7 -87.1 0.0 20.0 85.1 104.8 89 89 A N > - 0 0 91 1,-0.1 4,-1.9 2,-0.0 3,-0.5 -0.852 67.0-150.6 -98.9 113.1 23.0 87.2 103.6 90 90 A P H > S+ 0 0 80 0, 0.0 4,-2.2 0, 0.0 5,-0.2 0.854 96.6 53.5 -47.5 -44.2 25.8 84.9 102.4 91 91 A E H > S+ 0 0 129 1,-0.2 4,-2.1 2,-0.2 -2,-0.0 0.927 108.3 50.8 -58.7 -45.1 28.5 87.4 103.3 92 92 A R H > S+ 0 0 46 -3,-0.5 4,-1.3 1,-0.2 -1,-0.2 0.870 109.4 50.8 -59.4 -40.1 27.1 87.5 106.8 93 93 A R H X S+ 0 0 33 -4,-1.9 4,-1.2 2,-0.2 -1,-0.2 0.869 107.1 53.3 -68.2 -37.6 27.2 83.7 107.1 94 94 A L H >X S+ 0 0 90 -4,-2.2 4,-2.6 1,-0.2 3,-0.7 0.937 103.2 57.9 -62.3 -47.4 30.8 83.5 105.9 95 95 A A H 3X S+ 0 0 39 -4,-2.1 4,-3.1 1,-0.3 5,-0.3 0.885 102.9 53.0 -50.2 -45.5 31.9 86.0 108.6 96 96 A W H 3X S+ 0 0 10 -4,-1.3 4,-1.9 2,-0.2 -1,-0.3 0.864 111.0 48.7 -61.0 -33.6 30.4 83.7 111.3 97 97 A E H S+ 0 0 2 -4,-1.9 5,-3.3 -5,-0.3 4,-0.7 0.791 105.6 59.1 -71.0 -28.1 34.4 80.7 114.4 101 101 A K H <5S+ 0 0 150 -4,-2.1 -1,-0.2 3,-0.2 -2,-0.2 0.842 102.4 51.4 -72.0 -34.4 37.6 79.2 112.8 102 102 A E H <5S+ 0 0 109 -4,-1.5 -1,-0.2 1,-0.2 -2,-0.2 0.809 114.2 40.6 -76.3 -28.0 40.0 81.5 114.7 103 103 A Y H <5S- 0 0 61 -4,-0.9 -1,-0.2 2,-0.1 -2,-0.2 0.527 117.4-106.3 -96.6 -4.2 38.7 80.9 118.2 104 104 A G T <5S+ 0 0 41 -4,-0.7 -102,-0.3 1,-0.3 2,-0.3 0.868 72.7 130.5 86.8 40.0 38.2 77.2 117.6 105 105 A W < - 0 0 16 -5,-3.3 2,-0.3 -8,-0.2 -1,-0.3 -0.852 47.0-131.6-121.3 159.4 34.4 76.9 117.4 106 106 A K E -b 3 0A 91 -104,-1.9 -102,-2.4 -2,-0.3 2,-0.4 -0.772 14.1-135.0-109.6 158.3 32.2 75.1 114.8 107 107 A V E +b 4 0A 33 -2,-0.3 2,-0.3 -104,-0.2 -102,-0.2 -0.933 20.1 178.8-116.9 133.7 29.2 76.4 113.0 108 108 A E E -b 5 0A 69 -104,-2.3 -102,-2.6 -2,-0.4 2,-0.3 -0.907 16.3-142.5-127.0 155.2 25.9 74.7 112.4 109 109 A H E -b 6 0A 65 -2,-0.3 2,-0.4 -104,-0.2 -102,-0.2 -0.824 5.0-162.4-115.3 155.5 22.8 75.8 110.6 110 110 A K E -b 7 0A 87 -104,-1.6 -102,-1.9 -2,-0.3 2,-0.2 -0.897 22.5-149.9-139.7 100.7 19.2 75.1 111.5 111 111 A V E -b 8 0A 60 -2,-0.4 2,-0.2 -104,-0.2 -102,-0.2 -0.537 16.9-169.3 -80.9 140.9 17.0 75.8 108.5 112 112 A F - 0 0 29 -104,-2.7 2,-0.8 -2,-0.2 -102,-0.5 -0.579 12.3-179.5-126.7 68.4 13.4 77.0 108.7 113 113 A D + 0 0 87 -2,-0.2 -104,-0.1 -104,-0.1 -2,-0.0 -0.602 8.3 172.7 -75.7 106.9 12.1 76.7 105.2 114 114 A V - 0 0 18 -2,-0.8 -104,-0.1 2,-0.0 5,-0.1 -0.933 37.6 -99.8-116.7 140.3 8.5 77.9 105.3 115 115 A P >> - 0 0 75 0, 0.0 4,-2.2 0, 0.0 3,-0.9 -0.318 28.0-120.1 -61.6 136.6 6.4 78.4 102.1 116 116 A W H 3> S+ 0 0 12 1,-0.3 4,-2.8 2,-0.2 3,-0.2 0.881 113.1 55.9 -37.3 -58.7 6.0 82.0 100.8 117 117 A T H 3> S+ 0 0 33 1,-0.3 4,-2.3 2,-0.2 -1,-0.3 0.872 110.3 44.4 -46.2 -47.2 2.2 81.8 101.2 118 118 A E H <> S+ 0 0 71 -3,-0.9 4,-2.5 2,-0.2 -1,-0.3 0.854 111.0 54.2 -69.3 -35.3 2.6 81.0 104.9 119 119 A L H X S+ 0 0 3 -4,-2.2 4,-2.3 -3,-0.2 -2,-0.2 0.901 109.9 47.1 -65.0 -41.2 5.2 83.6 105.4 120 120 A V H X S+ 0 0 45 -4,-2.8 4,-2.1 -5,-0.2 5,-0.2 0.974 110.5 53.5 -63.1 -52.2 3.0 86.3 104.0 121 121 A K H X S+ 0 0 94 -4,-2.3 4,-0.6 -5,-0.2 3,-0.4 0.926 112.7 42.1 -45.5 -57.5 0.1 85.0 106.1 122 122 A R H >X S+ 0 0 96 -4,-2.5 3,-1.2 1,-0.2 4,-0.9 0.900 111.9 54.1 -59.6 -44.8 2.1 85.3 109.4 123 123 A N H 3< S+ 0 0 12 -4,-2.3 -1,-0.2 1,-0.3 4,-0.2 0.792 102.5 57.6 -62.9 -30.6 3.7 88.6 108.5 124 124 A S H 3< S+ 0 0 88 -4,-2.1 -1,-0.3 -3,-0.4 -2,-0.2 0.676 114.9 38.0 -75.7 -14.6 0.3 90.2 107.9 125 125 A K H << S+ 0 0 142 -3,-1.2 -2,-0.2 -4,-0.6 -1,-0.2 0.463 89.6 94.0-110.8 -4.7 -0.7 89.3 111.4 126 126 A R >< - 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